%chk=000054999.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054999

0 1
 S    1.144500      0.6417000      -1.026500    
 O   -6.056300      -2.181900      0.1238000    
 O   -1.409300       2.543100      0.1038000    
 N    3.695300     -9.3000002E-02  -1.454600    
 N    3.223900      0.2322000      0.6930000    
 N   -1.930800      0.2665000      0.3580000    
 C    4.861800     -0.3495000     -0.7808000    
 C    4.541700     -0.1396000      0.5577000    
 C    2.747000      0.2501000     -0.5315000    
 C    6.130700     -0.7355000      -1.214200    
 C    5.534200     -0.3207000       1.535600    
 C   -3.333600      0.2384000      0.1712000    
 C   0.3521000       1.004000      0.5681000    
 C    7.106300     -0.9113000     -0.2273000    
 C    6.815400     -0.7081000       1.123700    
 C   -1.094300       1.375700      0.3212000    
 C   -4.002000     -0.9724000      0.2428000    
 C   -4.007200       1.421900     -8.0899999E-02
 C   -5.384200      -1.000400      5.7000000E-02
 C   -5.389200       1.394000     -0.2667000    
 C   -6.077800      0.1829000     -0.1976000    
 C   -7.468400      -2.138000     -7.5900003E-02
 H    3.559600     -0.1477000      -2.455100    
 H    6.354000     -0.8925000      -2.263300    
 H    5.318200     -0.1654000       2.587900    
 H   0.8505000       1.848000       1.056300    
 H   0.4191000      0.1366000       1.233000    
 H    8.109800      -1.211800     -0.5183000    
 H    7.594700     -0.8526000       1.867600    
 H   -1.502000     -0.6392000      0.5357000    
 H   -3.465700      -1.896800      0.4407000    
 H   -3.547900       2.396900     -0.1481000    
 H   -5.929700       2.315300     -0.4647000    
 H   -7.150200      0.2334000     -0.3514000    
 H   -7.966900      -1.550900      0.7028000    
 H   -7.839200      -3.164600      1.1400000E-02
 H   -7.721700      -1.791400      -1.083500    


%chk=000054999-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054999

0 1
S 1.676669 3.021130 -1.494085
O -3.092183 -2.569645 0.540281
O -1.822083 3.950489 -0.324600
N 3.345328 0.782378 -1.357029
N 1.537977 0.652904 0.019989
N -1.067064 1.743970 0.083693
C 3.451655 -0.463339 -0.706321
C 2.311212 -0.525984 0.162694
C 2.189191 1.403992 -0.885970
C 4.397015 -1.503593 -0.788381
C 2.099215 -1.659554 0.976716
C -2.280746 1.005803 0.096141
C 0.563266 3.563119 -0.034156
C 4.171361 -2.629462 0.034621
C 3.042416 -2.706179 0.900072
C -0.900542 3.099015 -0.121141
C -2.171490 -0.393304 0.293396
C -3.564133 1.602062 -0.066981
C -3.330803 -1.197941 0.333635
C -4.704241 0.776718 -0.025473
C -4.615253 -0.620754 0.174200
C -4.257238 -3.453648 0.589573
H 4.006265 1.182929 -2.020524
H 5.265693 -1.453823 -1.452584
H 1.232404 -1.718932 1.641870
H 0.581722 4.661313 -0.083390
H 1.063610 3.204933 0.880820
H 4.880537 -3.463486 0.005287
H 2.904430 -3.599768 1.517741
H -0.176083 1.195855 0.202659
H -1.194403 -0.873522 0.411272
H -3.641922 2.678996 -0.220386
H -5.693047 1.232627 -0.150881
H -5.523914 -1.228516 0.202059
H -4.934005 -3.184806 1.424294
H -3.847338 -4.461035 0.755428
H -4.821078 -3.433540 -0.363638


